Crystallography Open Database

Information card for entry 4308996

Preview

Coordinates	4308996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H48 F6 N2 O2.5 P3 Re
Calculated formula	C48 H48 F6 N2 O2.5 P3 Re
Title of publication	Reactivity of Rhenium(V) Oxo Schiff Base Complexes with Phosphine Ligands: Rearrangement and Reduction Reactions
Authors of publication	Paul D. Benny; Jenny L. Green; Hendrik P. Engelbrecht; Charles L. Barnes; Silvia S. Jurisson
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	2381 - 2390
a	18.8261 ± 0.0012 Å
b	16.2517 ± 0.001 Å
c	15.4556 ± 0.001 Å
α	95.522 ± 0.001°
β	97.13 ± 0.001°
γ	91.35 ± 0.001°
Cell volume	4667.4 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.1085
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4308996.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308996.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308996.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308996.cif